4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

C22H24N8O2 — CID 59244338

IUPAC4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C22H24N8O2/c1-14-4-2-3-5-17(14)26-22(31)30-7-6-16-18(15-12-24-20(23)25-13-15)27-21(28-19(16)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25)
InChIKeyCFUDTPFWDVRVIO-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.26
Rot. Bonds3

About 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244338) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID59244338
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C22H24N8O2/c1-14-4-2-3-5-17(14)26-22(31)30-7-6-16-18(15-12-24-20(23)25-13-15)27-21(28-19(16)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25)
InChIKeyCFUDTPFWDVRVIO-UHFFFAOYSA-N
XLogP2.26
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244338) is 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is Cc1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is CFUDTPFWDVRVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-14-4-2-3-5-17(14)26-22(31)30-7-6-16-18(15-12-24-20(23)25-13-15)27-21(28-19(16)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-N-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).